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Cui Yang, Li Jing, Zhang Lin.Electronic structure of graphene nanoribbons under external electric field by density functional tight binding. Acta Physica Sinica, 2021, 70(5): 053101.doi:10.7498/aps.70.20201619 |
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Zhang Chao-Jiang, Xu Hong-Guang, Xu Xi-Ling, Zheng Wei-Jun.Electronic structures, chemical bonds, and stabilities of
${\rm{Ta}}_4{\rm{C}}_n^{-/0} $
(n= 0–4) clusters: Anion photoelectron spectroscopy and theoretical calculations. Acta Physica Sinica, 2021, 70(2): 023601.doi:10.7498/aps.70.20201351 |
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Li Ya-Sha, Sun Lin-Xiang, Zhou Xiao, Chen Kai, Wang Hui-Yao.Structure and excitation characteristics of C5F10O under external electric field based on density functional theory. Acta Physica Sinica, 2020, 69(1): 013101.doi:10.7498/aps.69.20191455 |
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Li Ya-Sha, Xie Yun-Long, Huang Tai-Huan, Xu Cheng, Liu Guo-Cheng.Molecular structure and properties of salt cross-linked polyethylene under external electric field based on density functional theory. Acta Physica Sinica, 2018, 67(18): 183101.doi:10.7498/aps.67.20180808 |
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Jiang Yuan-Qi, Peng Ping.Electronic structures of stable Cu-centered Cu-Zr icosahedral clusters studied by density functional theory. Acta Physica Sinica, 2018, 67(13): 132101.doi:10.7498/aps.67.20180296 |
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Xu Jin-Rong, Wang Ying, Zhu Xing-Feng, Li Ping, Zhang Li.First-principles study of N-doped and N-V co-doped anatase TiO2. Acta Physica Sinica, 2012, 61(20): 207103.doi:10.7498/aps.61.207103 |
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Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping.Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica, 2012, 61(24): 246801.doi:10.7498/aps.61.246801 |
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Chen Liang, Xu Can, Zhang Xiao-Fang.Electronic properties of MgO nanotube clusters studied with density functional theory. Acta Physica Sinica, 2009, 58(3): 1603-1607.doi:10.7498/aps.58.1603 |
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Qi Kai-Tian, Yang Chuan-Lu, Li Bing, Zhang Yan, Sheng Yong.Density functional theory study on TinLa（n=1—7） clusters. Acta Physica Sinica, 2009, 58(10): 6956-6961.doi:10.7498/aps.58.6956 |
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Yang Jian, Wang Ni-Ying, Zhu Dong-Jiu, Chen Xuan, Deng Kai-Ming, Xiao Chuan-Yun.Density functional calculation of the geometric and magnetic properties of MPb10（M=Ti，V，Cr，Cu，Pd） clusters. Acta Physica Sinica, 2009, 58(5): 3112-3117.doi:10.7498/aps.58.3112 |
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Tang Chun-Mei, Chen Xuan, Deng Kai-Ming, Hu Feng-Lan, Huang De-Cai, Xia Hai-Yan.The evolution of the structure and electronic properties of the fullerene derivatives C60（CF3）n(n=2, 4, 6, 10): A density functional calculation. Acta Physica Sinica, 2009, 58(4): 2675-2679.doi:10.7498/aps.58.2675 |
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Cao Qing-Song, Deng Kai-Ming, Chen Xuan, Tang Chun-Mei, Huang De-Cai.Density functional study on the geometric and electronic properties of MC20F20 （M=Li, Na, Be, Mg）. Acta Physica Sinica, 2009, 58(3): 1863-1869.doi:10.7498/aps.58.1863 |
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Jiao Yu-Qiu, Zhao Kun, Lu Gui-Wu.Density functional theory studies on spectral properties of H3PAuPh and (H3PAu)2(1,4-C6H4)2. Acta Physica Sinica, 2008, 57(3): 1592-1598.doi:10.7498/aps.57.1592 |
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Jiang Yan-Ling, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Tan Wei-Shi, Huang De-Cai, Liu Yu-Zhen, Wu Hai-Ping.Density functional study on the structural and electronic properties of fullerene-barbituric acid and its dimmer. Acta Physica Sinica, 2008, 57(6): 3690-3697.doi:10.7498/aps.57.3690 |
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Bai Yu-Jie, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Chen Xuan, Tan Wei-Shi, Liu Yu-Zhen, Huang De-Cai.Density functional calculations on the geometric and electronic structures of the endohedral fullerene H2＠C60 and its dimmer. Acta Physica Sinica, 2008, 57(6): 3684-3689.doi:10.7498/aps.57.3684 |
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Chen Zhong-Jun, Xiao Hai-Yan, Zu Xiao-Tao.Density functional theory investigation on structural properties of MgS crystal. Acta Physica Sinica, 2005, 54(11): 5301-5307.doi:10.7498/aps.54.5301 |
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Liu Ting-Yu, Zhang Qi-Ren, Zhuang Song-Lin.The colour centre model related to lead vacancy in PbWO4 crystal. Acta Physica Sinica, 2005, 54(2): 863-867.doi:10.7498/aps.54.863 |
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Yao Ming-Zhen, Liang Ling, Gu Mu, Duan Yong, Ma Xiao-Hui.. Acta Physica Sinica, 2002, 51(1): 125-128.doi:10.7498/aps.51.125 |
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LIU BO, SHI CHAO-SHU, ZHOU DONG-FANG, QI ZE-MING, HU GUAN-QIN, TANG HONG-GAO.INFLUENCE OF Gd3+ AND Y3+-DOPING ON LOW TEMPERATURE THERMOLUMINESCENCE OF Pb WO_4. Acta Physica Sinica, 2001, 50(8): 1627-1631.doi:10.7498/aps.50.1627 |
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LIU BO, SHI CHAO-SHU, WEI YA-GUANG, WU CAN, LI YU-XIONG, HU GUAN-QIN, SHEN DING -ZHONG.INFLUENCE OF Y3＋-DOPING ON THERMOLUMINESCENCE OF PbWO4. Acta Physica Sinica, 2000, 49(10): 2078-2082.doi:10.7498/aps.49.2078 |
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